8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-propan-2-ylimidazo[1,2-b]pyridazine-3-carboxamide

C21H22N8O2 — CID 155513034

IUPAC8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-propan-2-ylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(C(=O)NC(C)C)cnc12
InChIInChI=1S/C21H22N8O2/c1-13(2)25-20(30)16-12-24-19-15(22-3)11-17(27-29(16)19)26-14-7-6-10-28(21(14)31)18-8-4-5-9-23-18/h4-13,22H,1-3H3,(H,25,30)(H,26,27)
InChIKeyWLGOWPBKWCEHSR-UHFFFAOYSA-N
MW418.46 g/mol
LogP2.20
Rot. Bonds6

About 8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-propan-2-ylimidazo[1,2-b]pyridazine-3-carboxamide

8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-propan-2-ylimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 155513034) has the molecular formula C21H22N8O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is 8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-propan-2-ylimidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-propan-2-ylimidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID155513034
Molecular FormulaC21H22N8O2
Molecular Weight418.46 g/mol
Exact Mass418.19
IUPAC Name8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-propan-2-ylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(C(=O)NC(C)C)cnc12
InChIInChI=1S/C21H22N8O2/c1-13(2)25-20(30)16-12-24-19-15(22-3)11-17(27-29(16)19)26-14-7-6-10-28(21(14)31)18-8-4-5-9-23-18/h4-13,22H,1-3H3,(H,25,30)(H,26,27)
InChIKeyWLGOWPBKWCEHSR-UHFFFAOYSA-N
XLogP2.20
TPSA118.24 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-propan-2-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-propan-2-ylimidazo[1,2-b]pyridazine-3-carboxamide (CID 155513034) is 8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-propan-2-ylimidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-propan-2-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-propan-2-ylimidazo[1,2-b]pyridazine-3-carboxamide is CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(C(=O)NC(C)C)cnc12.
What is the InChIKey of 8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-propan-2-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is WLGOWPBKWCEHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O2/c1-13(2)25-20(30)16-12-24-19-15(22-3)11-17(27-29(16)19)26-14-7-6-10-28(21(14)31)18-8-4-5-9-23-18/h4-13,22H,1-3H3,(H,25,30)(H,26,27).
What are the key properties of 8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-propan-2-ylimidazo[1,2-b]pyridazine-3-carboxamide?
8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-propan-2-ylimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 418.46 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-propan-2-ylimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 155513034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).